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Substance Name: 2-Butenedioic acid, (E)-, bis(5-fluoro-3-pyridinyl)methyl) ester
RN: 23763-97-5
InChIKey: MPPPZEIKEIFAGL-OWOJBTEDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H12-F2-N2-O4

Molecular Weight

  • 334.277
 
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Names and Synonyms

Synonyms

  • Bis((5-fluoro-3-pyridinyl)methyl) (E)-2-butenedioate
  • BRN 1553372

Systematic Name

  • 2-Butenedioic acid, (E)-, bis(5-fluoro-3-pyridinyl)methyl) ester

Registry Numbers

CAS Registry Number

  • 23763-97-5

System Generated Number

  • 0023763975

Structure Descriptors

InChI

1S/C16H12F2N2O4/c17-13-3-11(5-19-7-13)9-23-15(21)1-2-16(22)24-10-12-4-14(18)8-20-6-12/h1-8H,9-10H2/b2-1+

InChIKey

MPPPZEIKEIFAGL-OWOJBTEDSA-N

Smiles

C(\C=C\C(=O)OCc1cncc(c1)F)(=O)OCc1cncc(c1)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Acta Pharmaceutica Suecica. Vol. 9, Pg. 221, 1972.